Geometry & MOs

Info

ID:	75326
PubChem CID:	48423332
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	2.56
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCSCC2=CC=CC=C2C#N

DOS

IR

Vibrations